UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-6-methyl-pyridine-3-carboxamide 2-[1-(2-hydroxyethyl)-4,6-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.02 1.06 -15.02 3 7 0 97 287.323 4 ↓
Mid Mid (pH 6-8) -1.02 1.49 -41.09 4 7 1 99 288.331 4 ↓

Analogs

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Popular Name: 6-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]pyridine-2-carbonitrile 6-[1-(2-hydroxyethyl)-4,6-dihydr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.02 3.19 -13.16 1 6 0 78 255.281 3 ↓

Analogs

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Popular Name: 1-[6-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-pyridyl]ethanone 1-[6-[1-(2-hydroxyethyl)-4,6-dih…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.06 3.3 -11.79 1 6 0 71 272.308 4 ↓
Lo Low (pH 4.5-6) 0.06 3.77 -40.84 2 6 1 73 273.316 4 ↓

Analogs

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Popular Name: 2-[5-(3-fluoro-2-pyridyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-(3-fluoro-2-pyridyl)-4,6-di…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.27 2.84 -8.44 1 5 0 54 248.261 3 ↓
Lo Low (pH 4.5-6) 0.27 3.23 -39.38 2 5 1 55 249.269 3 ↓

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.06 4.03 -9.03 1 8 0 104 327.344 5 ↓

Analogs

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Popular Name: 2-[5-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-1-yl]ethanol 2-[5-[3-chloro-5-(trifluoromethy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 4.06 -6.63 1 5 0 54 332.713 4 ↓

Parameters Provided:

ring.id = 583788
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 583788 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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